3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide

C10H15ClN2O5S2 — CID 66256597

IUPAC3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide
SMILESCOCCS(=O)(=O)Nc1c(C)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C10H15ClN2O5S2/c1-7-5-8(20(12,16)17)6-9(11)10(7)13-19(14,15)4-3-18-2/h5-6,13H,3-4H2,1-2H3,(H2,12,16,17)
InChIKeyDOBRPERIMLSVEA-UHFFFAOYSA-N
MW342.83 g/mol
LogP0.68
Rot. Bonds6

About 3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide

3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide (PubChem CID 66256597) has the molecular formula C10H15ClN2O5S2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide
PubChem CID66256597
Molecular FormulaC10H15ClN2O5S2
Molecular Weight342.83 g/mol
Exact Mass342.01
IUPAC Name3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide
SMILESCOCCS(=O)(=O)Nc1c(C)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C10H15ClN2O5S2/c1-7-5-8(20(12,16)17)6-9(11)10(7)13-19(14,15)4-3-18-2/h5-6,13H,3-4H2,1-2H3,(H2,12,16,17)
InChIKeyDOBRPERIMLSVEA-UHFFFAOYSA-N
XLogP0.68
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide
CID 55014078
N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide
CID 113438985
3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide
CID 63290463
4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide
CID 43246862
3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
CID 43134231
3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide
CID 115580042
3,5-dichloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
CID 63245920
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 66256512
3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
CID 107100880
3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide
CID 114812536
methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate
CID 114466073
N-(2-chloro-6-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 66254800

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide (CID 66256597) is 3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide is COCCS(=O)(=O)Nc1c(C)cc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide?
The InChIKey is DOBRPERIMLSVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O5S2/c1-7-5-8(20(12,16)17)6-9(11)10(7)13-19(14,15)4-3-18-2/h5-6,13H,3-4H2,1-2H3,(H2,12,16,17).
What are the key properties of 3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide?
3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide has a molecular weight of 342.83 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide is sourced from PubChem (CID 66256597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).